2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide

C13H16N6O2S — CID 936801

IUPAC2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2ccccc2OC)n1
InChIInChI=1S/C13H16N6O2S/c1-3-8-19-17-12(16-18-19)15-13(22)14-11(20)9-6-4-5-7-10(9)21-2/h4-7H,3,8H2,1-2H3,(H2,14,15,17,20,22)
InChIKeyVSOFBFIPORJNLJ-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.22
Rot. Bonds5

About 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide

2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide (PubChem CID 936801) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
PubChem CID936801
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2ccccc2OC)n1
InChIInChI=1S/C13H16N6O2S/c1-3-8-19-17-12(16-18-19)15-13(22)14-11(20)9-6-4-5-7-10(9)21-2/h4-7H,3,8H2,1-2H3,(H2,14,15,17,20,22)
InChIKeyVSOFBFIPORJNLJ-UHFFFAOYSA-N
XLogP1.22
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bas 07005712
CID 656143
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
3-methoxy-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-2-carboxamide
CID 934000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide (CID 936801) is 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide is CCCn1nnc(NC(=S)NC(=O)c2ccccc2OC)n1.
What is the InChIKey of 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The InChIKey is VSOFBFIPORJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-3-8-19-17-12(16-18-19)15-13(22)14-11(20)9-6-4-5-7-10(9)21-2/h4-7H,3,8H2,1-2H3,(H2,14,15,17,20,22).
What are the key properties of 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide has a molecular weight of 320.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 936801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).